Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Alicia P. Higueruelo"'
Autor:
Lisa A. Stott, Cheryl A. Brighton, Jason Brown, Richard Mould, Kirstie A. Bennett, Robert Newman, Heather Currinn, Flavia Autore, Alicia P. Higueruelo, Benjamin G. Tehan, Cliona MacSweeney, Michael A. O'Brien, Steve P. Watson
Publikováno v:
Heliyon, Vol 7, Iss 6, Pp e07201- (2021)
The identification of cannabinoid ligands Cannabidiol and O-1918 as inverse agonists of the orphan receptor GPR52 is reported. Detailed characterisation of GPR52 pharmacology and modelling of the proposed receptor interaction is described. The identi
Externí odkaz:
https://doaj.org/article/9ab0b310527d4fceba02192d55edbff1
Autor:
Robert Newman, Benjamin G. Tehan, J.D. Brown, Richard Mould, Alicia P. Higueruelo, K.A. Bennett, O'brien Michael Alistair, Flavia Autore, Cliona MacSweeney, Heather Currinn, Cheryl A. Brighton, Lisa A. Stott, Steve P. Watson
Publikováno v:
Heliyon
Heliyon, Vol 7, Iss 6, Pp e07201-(2021)
Heliyon, Vol 7, Iss 6, Pp e07201-(2021)
The identification of cannabinoid ligands Cannabidiol and O-1918 as inverse agonists of the orphan receptor GPR52 is reported. Detailed characterisation of GPR52 pharmacology and modelling of the proposed receptor interaction is described. The identi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::74e712b64596b5eaa25e6dd34e58553b
https://pubmed.ncbi.nlm.nih.gov/34189291
https://pubmed.ncbi.nlm.nih.gov/34189291
Autor:
William R. Pitt, Alicia P. Higueruelo, Chris J Radoux, Anthony R. Bradley, David R. Spring, Mihaela D. Smilova, Tom L. Blundell, Richard A. Sykes, Andrew R. Leach, Brian D. Marsden, Jason C. Cole, Peter Richard Curran
Methods that survey protein surfaces for binding hotspots can help to evaluate target tractability and guide exploration of potential ligand binding regions. Fragment Hotspot Maps builds upon interaction data mined from the CSD (Cambridge Structural
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a21861b71a8b52ec26df80485edbf150
https://www.repository.cam.ac.uk/handle/1810/304045
https://www.repository.cam.ac.uk/handle/1810/304045
Publikováno v:
PLoS ONE, Vol 7, Iss 12, p e51742 (2012)
Efforts to increase affinity in the design of new therapeutic molecules have tended to lead to greater lipophilicity, a factor that is generally agreed to be contributing to the low success rate of new drug candidates. Our aim is to provide a structu
Externí odkaz:
https://doaj.org/article/bb778ab61a2742c483d7bd2b3efa3093
Publikováno v:
Database: The Journal of Biological Databases and Curation
TIBLE is a web-based resource that provides easy access to data on the minimal inhibitory concentrations for small molecules against several mycobacterial species, as well as the target binding and off-target predictions for Mycobacterium tuberculosi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::a0380039417a95f9c5d656efce9e9df9
https://pubmed.ncbi.nlm.nih.gov/29220433
https://pubmed.ncbi.nlm.nih.gov/29220433
Autor:
Jason C. Cole, Alicia P. Higueruelo, Chris J Radoux, William R. Pitt, Mihaela D. Smilova, Anthony R. Bradley, Richard A. Sykes, Peter Richard Curran, Tom L. Blundell, David R. Spring
Publikováno v:
Acta Crystallographica Section A Foundations and Advances. 75:a225-a225
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::809a068f0794ca9b4010c50b146e0bca
https://doi.org/10.1107/s0108767319097782
https://doi.org/10.1107/s0108767319097782
Autor:
Harry C, Jubb, Alicia P, Higueruelo, Bernardo, Ochoa-Montaño, Will R, Pitt, David B, Ascher, Tom L, Blundell
Publikováno v:
Journal of Molecular Biology
Interactions between proteins and their ligands, such as small molecules, other proteins, and DNA, depend on specific interatomic interactions that can be classified on the basis of atom type and distance and angle constraints. Visualisation of these
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::21ac2c5a84cb7c871f4cc5ec24cec69f
https://pubmed.ncbi.nlm.nih.gov/27964945
https://pubmed.ncbi.nlm.nih.gov/27964945
Autor:
William R. Pitt, Anja Winter, Alicia P. Higueruelo, A.G. Sigurdardottir, Tom L. Blundell, May Marsh
Publikováno v:
Quarterly Reviews of Biophysics. 45:383-426
Drug discovery has classically targeted the active sites of enzymes or ligand-binding sites of receptors and ion channels. In an attempt to improve selectivity of drug candidates, modulation of protein–protein interfaces (PPIs) of multiprotein comp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cc442a3a7c2e2fb9f1027d61bc9a744c
https://doi.org/10.1017/s0033583512000108
https://doi.org/10.1017/s0033583512000108
Publikováno v:
Protein Surface Recognition: Approaches for Drug Discovery
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1437a9f165e51dfd1a93c5aef6d22715
https://doi.org/10.1002/9780470972137.ch1
https://doi.org/10.1002/9780470972137.ch1
Autor:
Harry Jubb, Takashi Ochi, Alicia P. Higueruelo, Douglas E. V. Pires, Tom L. Blundell, David B. Ascher
Publikováno v:
Multifaceted Roles of Crystallography in Modern Drug Discovery ISBN: 9789401797184
While protein-protein interfaces have promised a range of benefits over conventional sites in drug discovery, they present unique challenges. Here we describe recent developments that facilitate many aspects of the drug discovery process – includin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4da9446b766db1daafe24322df7276b3
https://doi.org/10.1007/978-94-017-9719-1_12
https://doi.org/10.1007/978-94-017-9719-1_12